Header list of 1u6f.pdb file
Complete list - r 2 2 Bytes
HEADER RNA BINDING PROTEIN 29-JUL-04 1U6F
TITLE NMR SOLUTION STRUCTURE OF TCUBP1, A SINGLE RBD-UNIT FROM TRYPANOSOMA
TITLE 2 CRUZI
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA-BINDING PROTEIN UBP1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 1-139;
COMPND 5 SYNONYM: TCUBP1;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI;
SOURCE 3 ORGANISM_TAXID: 5693;
SOURCE 4 GENE: TCUBP-1;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 GOLD (DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX2T
KEYWDS TRYPANOSOME, TCUBP1, MRNA-BINDING PROTEIN, GU-RICH RNA, RNA BINDING
KEYWDS 2 PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR L.VOLPON,I.D'ORSO,A.FRASCH,K.GEHRING
REVDAT 4 02-MAR-22 1U6F 1 REMARK
REVDAT 3 24-FEB-09 1U6F 1 VERSN
REVDAT 2 15-MAR-05 1U6F 1 JRNL
REVDAT 1 25-JAN-05 1U6F 0
JRNL AUTH L.VOLPON,I.D'ORSO,C.R.YOUNG,A.FRASCH,K.GEHRING
JRNL TITL NMR STRUCTURAL STUDY OF TCUBP1, A SINGLE RRM DOMAIN PROTEIN
JRNL TITL 2 FROM TRYPANOSOMA CRUZI: CONTRIBUTION OF A BETA HAIRPIN TO
JRNL TITL 3 RNA BINDING
JRNL REF BIOCHEMISTRY V. 44 3708 2005
JRNL REFN ISSN 0006-2960
JRNL PMID 15751947
JRNL DOI 10.1021/BI047450E
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.1, TALOS 2003.027.13.05, CNS 1.1
REMARK 3 AUTHORS : BRUKER (XWINNMR), BAX (TALOS), BRUNGER (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 THE STRUCTURES ARE BASED ON A TOTAL OF 1545 RESTRAINTS: 1369 ARE
REMARK 3 NOE-DERIVED
REMARK 3 DISTANCE CONSTRAINTS, 122 ARE DIHEDRAL ANGLE RESTRAINTS AND 54 ARE
REMARK 3 DISTANCE RESTRAINTS
REMARK 3 FROM HYDROGEN BONDS.
REMARK 4
REMARK 4 1U6F COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-AUG-04.
REMARK 100 THE DEPOSITION ID IS D_1000023303.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 7.2
REMARK 210 IONIC STRENGTH : 50 MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.5 MM TCUBP1 (GQ), 50 MM TRIS
REMARK 210 -HCL, 50 MM NACL, 1 MM DTT AND 1
REMARK 210 MM NAN3, 90% H2O, 10% D2O; 1.5
REMARK 210 MM TCUBP1 (GQ), 50 MM TRIS-HCL,
REMARK 210 50 MM NACL, 1 MM DTT AND 1 MM
REMARK 210 NAN3, 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 2D
REMARK 210 NOESY; 3D_13C-SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : DRX; INOVA
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : GIFA 4.0, XEASY 1.3.13, ARIA 1.1
REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS, STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR
REMARK 210 SPECTROSCOPY
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 GLN A 3 134.61 -172.24
REMARK 500 1 VAL A 7 -47.14 -141.82
REMARK 500 1 GLN A 9 -75.42 -88.97
REMARK 500 1 TYR A 10 84.21 -159.87
REMARK 500 1 THR A 16 -46.11 -156.71
REMARK 500 1 GLN A 20 -76.36 -177.67
REMARK 500 1 LEU A 22 -175.37 61.28
REMARK 500 1 GLN A 23 102.11 61.82
REMARK 500 1 GLN A 25 -178.78 60.34
REMARK 500 1 HIS A 29 -168.71 60.52
REMARK 500 1 PRO A 32 61.45 -67.49
REMARK 500 1 THR A 33 -70.69 66.23
REMARK 500 1 ASN A 36 -61.74 -177.22
REMARK 500 1 VAL A 41 44.67 -90.73
REMARK 500 1 TYR A 49 -66.33 -165.94
REMARK 500 1 PRO A 51 -85.53 -86.99
REMARK 500 1 ARG A 84 -162.36 -168.50
REMARK 500 1 LEU A 104 -30.03 -136.02
REMARK 500 1 PHE A 107 86.44 -52.77
REMARK 500 1 ASN A 108 83.48 -67.35
REMARK 500 1 GLN A 124 41.00 -96.58
REMARK 500 1 ILE A 128 82.62 41.09
REMARK 500 1 ALA A 129 -80.05 63.71
REMARK 500 1 ALA A 131 147.10 62.69
REMARK 500 1 ASP A 134 179.02 60.20
REMARK 500 2 GLN A 3 94.87 60.17
REMARK 500 2 LEU A 6 114.73 61.58
REMARK 500 2 TYR A 10 -177.75 60.15
REMARK 500 2 GLN A 21 79.39 60.12
REMARK 500 2 GLN A 27 37.28 -153.76
REMARK 500 2 ILE A 30 55.68 -164.30
REMARK 500 2 PRO A 32 81.75 -69.50
REMARK 500 2 GLN A 34 -80.80 63.63
REMARK 500 2 MET A 35 -69.21 67.78
REMARK 500 2 PRO A 37 39.59 -86.72
REMARK 500 2 PRO A 39 -73.65 -89.36
REMARK 500 2 VAL A 41 73.88 -107.06
REMARK 500 2 TYR A 49 -67.10 -161.15
REMARK 500 2 PRO A 51 -91.83 -71.83
REMARK 500 2 ARG A 84 -159.03 -170.01
REMARK 500 2 LEU A 104 -37.22 -134.38
REMARK 500 2 PHE A 107 87.76 -52.11
REMARK 500 2 ALA A 120 167.84 66.46
REMARK 500 2 GLN A 124 -50.96 -156.93
REMARK 500 2 ALA A 129 -172.71 60.72
REMARK 500 2 ALA A 131 81.25 59.99
REMARK 500 2 VAL A 132 -68.31 68.53
REMARK 500 2 TYR A 138 -66.98 69.02
REMARK 500 3 LEU A 6 37.71 -144.04
REMARK 500 3 TYR A 10 96.66 60.61
REMARK 500
REMARK 500 THIS ENTRY HAS 482 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1U6F A 1 139 UNP Q967R0 Q967R0_TRYCR 1 139
SEQRES 1 A 139 MET SER GLN ILE PRO LEU VAL SER GLN TYR ASP PRO TYR
SEQRES 2 A 139 GLY GLN THR ALA GLN LEU GLN GLN LEU GLN GLN GLN GLN
SEQRES 3 A 139 GLN GLN HIS ILE PRO PRO THR GLN MET ASN PRO GLU PRO
SEQRES 4 A 139 ASP VAL LEU ARG ASN LEU MET VAL ASN TYR ILE PRO THR
SEQRES 5 A 139 THR VAL ASP GLU VAL GLN LEU ARG GLN LEU PHE GLU ARG
SEQRES 6 A 139 TYR GLY PRO ILE GLU SER VAL LYS ILE VAL CYS ASP ARG
SEQRES 7 A 139 GLU THR ARG GLN SER ARG GLY TYR GLY PHE VAL LYS PHE
SEQRES 8 A 139 GLN SER GLY SER SER ALA GLN GLN ALA ILE ALA GLY LEU
SEQRES 9 A 139 ASN GLY PHE ASN ILE LEU ASN LYS ARG LEU LYS VAL ALA
SEQRES 10 A 139 LEU ALA ALA SER GLY HIS GLN ARG PRO GLY ILE ALA GLY
SEQRES 11 A 139 ALA VAL GLY ASP GLY ASN GLY TYR LEU
HELIX 1 1 ASP A 55 GLY A 67 1 13
HELIX 2 2 SER A 93 LEU A 104 1 12
SHEET 1 A 5 ILE A 69 ASP A 77 0
SHEET 2 A 5 GLN A 82 PHE A 91 -1 O LYS A 90 N GLU A 70
SHEET 3 A 5 ASN A 44 ASN A 48 -1 N LEU A 45 O VAL A 89
SHEET 4 A 5 ARG A 113 LEU A 118 -1 O ALA A 117 N MET A 46
SHEET 5 A 5 PHE A 107 ASN A 108 -1 O PHE A 107 N LEU A 114
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
Complete list - r 2 2 Bytes